(Q105170756)

English

(5aR,9S,11aS,13bR)-3-isopropyl-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-1H,2H,3H,4H,5H,5bH,6H,7H,7aH,9H,10H,11H,13H,13bH-cyclopenta[a]chrysene

group of stereoisomers with the chemical formula C₃₁H₅₂O

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Statements

group of stereoisomers

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fernane triterpenoid

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fernane triterpenoid

440.401816284 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₁H₅₂O

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canonical SMILES

O(C)C1CCC2(C3=CCC4(C)C5CCC(C(C)C)C5(C)CCC4(C)C3CCC2C1(C)C)C

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isomeric SMILES

CO[C@H]1CC[C@]2(C)C3=CCC4(C)[C@@H]5CCC(C(C)C)C5(C)CC[C@]4(C)C3CCC2C1(C)C

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Identifiers

InChI=1S/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3/t21?,23?,24?,25-,26+,28-,29?,30-,31?/m1/s1

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MRNPHCMRIQYRFU-WMKZQPFISA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

MRNPHCMRIQYRFU-WMKZQPFISA-N

UniChem compound ID

1 reference

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